A semi-empirical study of flavone compounds with antioxidant efficiency

Rajendran, M.

doi:10.5897/ajpp11.357

Cited by 6 publications

(3 citation statements)

References 61 publications

(17 reference statements)

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“…It has been widely accepted that a large number of free radicals is generated in the peptic ulcer and gastritis, but its mechanism is unclear. Oxygen-derived free radicals play an important role in the pathogenesis of injuries of the digestive system [ 46 , 47 , 48 ]. In addition, the involvement of oxygen-derived free radicals in the pathogenesis of ischaemic injury of gastrointestinal mucosa and in other models of mucosal damage induced by non-steroidal anti-inflammatory drugs, ethanol, and H. pylori is well established [ 49 ].…”

Section: Resultsmentioning

confidence: 99%

Antioxidant and Immunity Activities of Fufang Kushen Injection Liquid

Zhou

Zhang

et al. 2012

Molecules

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We investigated the effects of Fufang Kushen Injection Liquid (FFKSIL) on gastric immunity and oxidant-antioxidant status during N-methyl-N′-nitro-N-nitroso-guanidine (MNNG)-induced gastric carcinogenesis. The extent of lipid peroxidation and the levels of reduced glutathione (GSH) and activities of the GSH-dependent enzymes superoxide dismutase (SOD), catalase (CAT) and glutathione peroxidase (GSH-Px) were used to monitor the peroxidative balance. Enhanced lipid peroxidation in the gastric cancer animals was accompanied by significant decreases in the activities of GSH, GPx, GST and GR. Administration of FFKSIL significantly enhanced serum IgA, IgG, IgM, IL-2, IL-4 and IL-10 levels, decreased serum IL-6 and TNF-α levels, lowered the levels of lipid peroxides and enhanced GSH levels and activities of GSH-dependent enzymes. Our results suggest that FFKSIL blocks experimental gastric carcinogenesis by protecting against carcinogen-induced oxidative damage and improving immunity activity.

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Section: Resultsmentioning

confidence: 99%

Antioxidant and Immunity Activities of Fufang Kushen Injection Liquid

Zhou

Zhang

et al. 2012

Molecules

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“…The term “flavonoids” refers to a broad category of plant polyphenolics that are found in fruits, vegetables, beverages, and traditional Chinese medicines [1,2,3], and exhibit potent anti-oxidant, anti-inflammatory, anti-cancer, anti-bacterial, anti-viral, anti-allergic, and neuroprotective activities [3,4,5,6,7]. The leaves of Rhododendron dauricum L. (RD), a plant used as a traditional Chinese medicine, are rich in flavonoids, some of which exhibit anti-inflammatory, anti-bacterial, and anti-oxidant activities [8].…”

Section: Introductionmentioning

confidence: 99%

A Complete Study of Farrerol Metabolites Produced In Vivo and In Vitro

Yin

Ma²,

Liang

et al. 2019

Molecules

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Although farrerol, a characteristically bioactive constituent of Rhododendron dauricum L., exhibits extensive biological and pharmacological activities (e.g., anti-oxidant, anti-immunogenic, and anti-angiogenic) as well as a high drug development potential, its metabolism remains underexplored. Herein, we employed ultra-high performance liquid chromatography/quadrupole time-of-flight mass spectrometry coupled with multiple data post-processing techniques to rapidly identify farrerol metabolites produced in vivo (in rat blood, bile, urine and feces) and in vitro (in rat liver microsomes). As a result, 42 in vivo metabolites and 15 in vitro metabolites were detected, and farrerol shown to mainly undergo oxidation, reduction, (de)methylation, glucose conjugation, glucuronide conjugation, sulfate conjugation, N-acetylation and N-acetylcysteine conjugation. Thus, this work elaborates the metabolic pathways of farrerol and reveals the potential pharmacodynamics forms of farrerol.

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“…The highest binding energy clearly identifies the 3-hydroxyl-4-carbonyl group as the most probable chelation site for metal ion, followed by 4-carbonly-5-hydroxyl and 3',4'-hydroxyl groups [13]. In the earlier study mulliken atomic charges are calculated by semiempirical method, and their values are correlated with antioxidant efficiency of flavones [14]. ArgusLab [15] provides molecular modeling functionality that does not utilize the concept of a Z-matrix.…”

Section: Introductionmentioning

confidence: 99%

Electronic Description of Few Selected Flavonoids by Theoretical Study

Rajendran¹,

Ravichandran²,

Devapiriam³

2013

IJCA

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The electronic properties responsible for free radical scavenging and metal chelation of a set of 7 flavonoids compounds were studied. Electronic parameters were calculated using semi empirical PM3 method. The structure activity relationship of OH substitution, C2-C3 double bond, chelation site of flavonoid and related property of antioxidant efficiency, BDE, mulliken atomic charge, electron current movement among A, B and C-rings were investigated. The relative change in energy (H f ) associated with the formation of phenoxyl radicals and spin density distribution of phenoxyl radicals were determined. The complexation mechanism of seven flavonoids quercetin, morin, apigenin, naringenin, chrysin, taxifolin and fisetin with metal ions, by molecular mechanics (UFF) method was investigated. Flavonoids metal chelation site order on toxic metals Pb, Bi and Cd was investigated. The most likely chelation site for metal ion was 5-OH & 4=O group, followed by 4=O & 3-OH group and the 3'& 4' hydroxyl for all the flavonoid molecules studied. In the absence of C2-C3 double bond (taxifolin) the order of metal chelation site with metal was 3-OH & 4=O, followed by 5-OH & 4=O group and 3' & 4' hydroxyl.

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A semi-empirical study of flavone compounds with antioxidant efficiency

Cited by 6 publications

References 61 publications

Antioxidant and Immunity Activities of Fufang Kushen Injection Liquid

Antioxidant and Immunity Activities of Fufang Kushen Injection Liquid

A Complete Study of Farrerol Metabolites Produced In Vivo and In Vitro

Electronic Description of Few Selected Flavonoids by Theoretical Study

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